PotentialCalculation
public class PotentialCalculationVSum extends java.lang.Object implements PotentialCalculation
Modifier and Type | Field | Description |
---|---|---|
protected double[] |
Axc0 |
|
protected double[] |
Axc1 |
|
protected double[] |
Axs0 |
|
protected double[] |
Axs1 |
|
protected double[] |
Ayc0 |
|
protected double[] |
Ayc1 |
|
protected double[] |
Ays0 |
|
protected double[] |
Ays1 |
|
protected double |
bJ |
|
protected double |
bmu |
|
protected double |
bt |
|
protected double[] |
d2Axc0 |
|
protected double[] |
d2Axc1 |
|
protected double[] |
d2Axs0 |
|
protected double[] |
d2Axs1 |
|
protected double[] |
d2Ayc0 |
|
protected double[] |
d2Ayc1 |
|
protected double[] |
d2Ays0 |
|
protected double[] |
d2Ays1 |
|
protected double[] |
d3Axc0 |
|
protected double[] |
d3Axs0 |
|
protected double[] |
d3Ayc0 |
|
protected double[] |
d3Ays0 |
|
protected double[] |
dAxc0 |
|
protected double[] |
dAxc1 |
|
protected double[] |
dAxs0 |
|
protected double[] |
dAxs1 |
|
protected double[] |
dAyc0 |
|
protected double[] |
dAyc1 |
|
protected double[] |
dAys0 |
|
protected double[] |
dAys1 |
|
protected Vector |
ei |
|
protected Vector |
ej |
|
protected double |
J |
|
protected AtomLeafAgentManager<MeterMappedAveragingSum.MoleculeAgent> |
leafAgentManager |
|
protected double |
mu |
|
protected int |
nMax |
|
protected double |
psi1x1 |
|
protected double |
psi1x11 |
|
protected double |
psi1x2 |
|
protected double |
psi1x22 |
|
protected double |
psi1y1 |
|
protected double |
psi1y11 |
|
protected double |
psi1y2 |
|
protected double |
psi1y22 |
|
protected double |
psix1 |
|
protected double |
psix11 |
|
protected double |
psix111 |
|
protected double |
psix112 |
|
protected double |
psix12 |
|
protected double |
psix2 |
|
protected double |
psix22 |
|
protected double |
psix221 |
|
protected double |
psix222 |
|
protected double |
psiy1 |
|
protected double |
psiy11 |
|
protected double |
psiy111 |
|
protected double |
psiy112 |
|
protected double |
psiy12 |
|
protected double |
psiy2 |
|
protected double |
psiy22 |
|
protected double |
psiy221 |
|
protected double |
psiy222 |
|
protected Vector |
vDotGradV |
|
protected Vector |
vE |
|
protected Vector |
vEE |
Constructor | Description |
---|---|
PotentialCalculationVSum() |
Modifier and Type | Method | Description |
---|---|---|
void |
doCalculation(IAtomList atoms,
IPotentialAtomic potential) |
Method giving the specific calculation performed by this class.
|
void |
reset() |
|
void |
setAgentManager(AtomLeafAgentManager agentManager) |
protected AtomLeafAgentManager<MeterMappedAveragingSum.MoleculeAgent> leafAgentManager
protected Vector ei
protected Vector ej
protected Vector vE
protected Vector vEE
protected Vector vDotGradV
protected double mu
protected double J
protected double bt
protected double bJ
protected double bmu
protected double[] Axc0
protected double[] Axs0
protected double[] dAxc0
protected double[] dAxs0
protected double[] Axc1
protected double[] Axs1
protected double[] dAxc1
protected double[] dAxs1
protected double[] d2Axc0
protected double[] d2Axs0
protected double[] d3Axc0
protected double[] d3Axs0
protected double[] d2Axc1
protected double[] d2Axs1
protected double[] Ayc0
protected double[] Ays0
protected double[] dAyc0
protected double[] dAys0
protected double[] Ayc1
protected double[] Ays1
protected double[] dAyc1
protected double[] dAys1
protected double[] d2Ayc0
protected double[] d2Ays0
protected double[] d3Ayc0
protected double[] d3Ays0
protected double[] d2Ayc1
protected double[] d2Ays1
protected double psix1
protected double psix2
protected double psix11
protected double psix12
protected double psix22
protected double psi1x1
protected double psi1x2
protected double psi1x11
protected double psi1x22
protected double psix111
protected double psix222
protected double psix221
protected double psix112
protected double psiy1
protected double psiy2
protected double psiy11
protected double psiy12
protected double psiy22
protected double psi1y1
protected double psi1y2
protected double psi1y11
protected double psi1y22
protected double psiy111
protected double psiy222
protected double psiy221
protected double psiy112
protected int nMax
public void doCalculation(IAtomList atoms, IPotentialAtomic potential)
PotentialCalculation
doCalculation
in interface PotentialCalculation
atoms
- IAtomSet the atom sets for which the calculation is performed.potential
- The potential used to apply the action defined by this class.public void setAgentManager(AtomLeafAgentManager agentManager)
public void reset()